6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide

C21H43NO4 — CID 130253038

IUPAC6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
SMILESCC(C)CCCCC(=O)NCCCOCCOCCOCCCC(C)C
InChIInChI=1S/C21H43NO4/c1-19(2)9-5-6-11-21(23)22-12-8-14-25-16-18-26-17-15-24-13-7-10-20(3)4/h19-20H,5-18H2,1-4H3,(H,22,23)
InChIKeyBKTUPTSHZPWFRU-UHFFFAOYSA-N
MW373.58 g/mol
LogP4.20
Rot. Bonds19

About 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide

6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide (PubChem CID 130253038) has the molecular formula C21H43NO4 and a molecular weight of 373.58 g/mol. Its IUPAC name is 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide.

Molecular Properties

Compound Name6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
PubChem CID130253038
Molecular FormulaC21H43NO4
Molecular Weight373.58 g/mol
Exact Mass373.32
IUPAC Name6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide
SMILESCC(C)CCCCC(=O)NCCCOCCOCCOCCCC(C)C
InChIInChI=1S/C21H43NO4/c1-19(2)9-5-6-11-21(23)22-12-8-14-25-16-18-26-17-15-24-13-7-10-20(3)4/h19-20H,5-18H2,1-4H3,(H,22,23)
InChIKeyBKTUPTSHZPWFRU-UHFFFAOYSA-N
XLogP4.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-hydroxy-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]nonanamide
CID 155740636
potassium 9-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethylamino]-9-oxononan-1-olate
CID 155739545
8-methyl-N-(3-propan-2-yloxypropyl)nonanamide
CID 147959666
2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 166012960
6-methyl-N-[2-[2-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]heptanamide
CID 168756309
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethyl]-4-propan-2-yloxybutanamide;molecular hydrogen
CID 155739554
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089
N-butyl-7-methyloctanamide
CID 154028337
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050
N-(4-methylpentyl)-3-[3-(2-methylpropylamino)-3-oxopropoxy]propanamide
CID 177260511
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide?
The IUPAC name of 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide (CID 130253038) is 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide.
What is the SMILES notation for 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide?
The canonical SMILES for 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide is CC(C)CCCCC(=O)NCCCOCCOCCOCCCC(C)C.
What is the InChIKey of 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide?
The InChIKey is BKTUPTSHZPWFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO4/c1-19(2)9-5-6-11-21(23)22-12-8-14-25-16-18-26-17-15-24-13-7-10-20(3)4/h19-20H,5-18H2,1-4H3,(H,22,23).
What are the key properties of 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide?
6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide has a molecular weight of 373.58 g/mol, XLogP of 4.20, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]propyl]heptanamide is sourced from PubChem (CID 130253038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).